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deepmd-python-inference

95 / 100 · Low risk

Fine to try. Some of what it can do is expected: a coding skill usually runs build and test commands.

By jinzhezenggroup/computational-chemistry-agent-skills (GitHub) · coding · 157 stars · scanned at commit 8ab83a9

Run Python inference with DeePMD-kit models using the DeepPot API. Use when the user wants to load a checkpoint, frozen model (.pb or .pth), DPA4/SeZM AOTInductor deployment archive (.pt2), or built-in pretrained model in Python; predict energy/force/virial; evaluate supported descriptors; calculate model deviation; or use `dp test` against labeled data.

Works with any agent that supports SKILL.md skills.

What this skill can do

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'deepmd-python-inference' ] || [ -L ~/.agents/skills/'deepmd-python-inference' ]; then echo 'A skill folder named deepmd-python-inference already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/jinzhezenggroup/computational-chemistry-agent-skills' "$d" && git -C "$d" checkout --quiet '8ab83a96292bb4d13ba7e4a2b015015f0332e8cc' -- 'machine-learning-potentials/deepmd-python-inference' && mkdir -p ~/.agents/skills && cp -R "$d"/'machine-learning-potentials/deepmd-python-inference' ~/.agents/skills/'deepmd-python-inference' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'deepmd-python-inference' ~/.claude/skills/'deepmd-python-inference' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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